⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL429187 | 0.75 | PTPN1 (0.48) | — | |
| SCHEMBL9725165 | 0.74 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL6655719 | 0.73 | JAK2 (0.31) | — | |
| SCHEMBL3759507 | 0.73 | HDAC6 (0.51) | — | |
| SCHEMBL6652148 | 0.73 | — | — | |
| SCHEMBL11072074 | 0.72 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL6033544 | 0.72 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL10658120 | 0.71 | KMT2A (0.49) | — | |
| SCHEMBL5607153 | 0.71 | LMNA (0.59) | — | |
| SCHEMBL55828 | 0.71 | GAA (0.42) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1006110-B1 | DERIVATIVES OF ACYL-PIPERAZINIL-PYRIMIDINS, PREPARATION THEREOF AND APPLICATION AS MEDICAMENTS | ESTEVE LABOR DR (ES) | 2004-02-11 | — | — | EP | claimed |
| EP-0086611-B1 | 9-SUBSTITUTED CARBACYCLIN ANALOGUES | THE UPJOHN COMPANY (US) | 1986-05-21 | — | — | EP | claimed |